4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-phenyliodonio-phenolate

Systemtic Name: 4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-phenyliodonio-phenolate Openeye Name: 4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-phenyliodonio-phenolate CAS Name: 4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-phenyliodoniophenolate IUPAC Name: 4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-phenyliodoniophenolate Traditional Name: 4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-phenyliodonio-phenolate Formula: C16H11IN2O2 MolecularWeight: 390.17521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[I+]C2=C(C=CC(=C2)C=C(C#N)C(=O)N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[I+]C2=C(C=CC(=C2)/C=C(\C#N)/C(=O)N)[O-]

InChI

InChI=1S/C16H11IN2O2/c18-10-12(16(19)21)8-11-6-7-15(20)14(9-11)17-13-4-2-1-3-5-13/h1-9H,(H2-,19,20,21)